[2-(4-butoxyphenyl)-4-methyl-1,3-oxazol-5-yl]methanol

C15H19NO3 — CID 143299914

IUPAC[2-(4-butoxyphenyl)-4-methyl-1,3-oxazol-5-yl]methanol
SMILESCCCCOc1ccc(-c2nc(C)c(CO)o2)cc1
InChIInChI=1S/C15H19NO3/c1-3-4-9-18-13-7-5-12(6-8-13)15-16-11(2)14(10-17)19-15/h5-8,17H,3-4,9-10H2,1-2H3
InChIKeyXHRMGXZIDKPBBH-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.32
Rot. Bonds6

About [2-(4-butoxyphenyl)-4-methyl-1,3-oxazol-5-yl]methanol

[2-(4-butoxyphenyl)-4-methyl-1,3-oxazol-5-yl]methanol (PubChem CID 143299914) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is [2-(4-butoxyphenyl)-4-methyl-1,3-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(4-butoxyphenyl)-4-methyl-1,3-oxazol-5-yl]methanol
PubChem CID143299914
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name[2-(4-butoxyphenyl)-4-methyl-1,3-oxazol-5-yl]methanol
SMILESCCCCOc1ccc(-c2nc(C)c(CO)o2)cc1
InChIInChI=1S/C15H19NO3/c1-3-4-9-18-13-7-5-12(6-8-13)15-16-11(2)14(10-17)19-15/h5-8,17H,3-4,9-10H2,1-2H3
InChIKeyXHRMGXZIDKPBBH-UHFFFAOYSA-N
XLogP3.32
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-butoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 62233003
2-bromo-5-(4-butoxyphenyl)-1,3,4-oxadiazole
CID 114771327
2-[4-(3-chloropropoxy)phenyl]-4-methyl-1,3-oxazole-5-carboxylic acid
CID 59457455
2-(4-hexadecoxyphenyl)-5-[4-[5-(4-hexadecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 102166684
2-(4-decoxyphenyl)-5-[4-[5-(4-decoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 3725956
2,5-bis(4-octoxyphenyl)-1,3,4-oxadiazole
CID 102447909
2-(4-butoxyphenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one
CID 4116298
5-(4-butoxyphenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63448625
2-(4-butoxyphenyl)-1,3-oxazole
CID 69161830
ethyl 4-(bromomethyl)-2-(4-butoxyphenyl)-1,3-oxazole-5-carboxylate
CID 143299975
2-(4-hexoxyphenyl)-7-(4-methylphenyl)-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole
CID 118531033
2-(4-heptoxyphenyl)-7-(4-methylphenyl)-[1,3]benzoxazolo[5,4-e][1,3]benzoxazole
CID 118531043

Frequently Asked Questions

What is the IUPAC name of [2-(4-butoxyphenyl)-4-methyl-1,3-oxazol-5-yl]methanol?
The IUPAC name of [2-(4-butoxyphenyl)-4-methyl-1,3-oxazol-5-yl]methanol (CID 143299914) is [2-(4-butoxyphenyl)-4-methyl-1,3-oxazol-5-yl]methanol.
What is the SMILES notation for [2-(4-butoxyphenyl)-4-methyl-1,3-oxazol-5-yl]methanol?
The canonical SMILES for [2-(4-butoxyphenyl)-4-methyl-1,3-oxazol-5-yl]methanol is CCCCOc1ccc(-c2nc(C)c(CO)o2)cc1.
What is the InChIKey of [2-(4-butoxyphenyl)-4-methyl-1,3-oxazol-5-yl]methanol?
The InChIKey is XHRMGXZIDKPBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-4-9-18-13-7-5-12(6-8-13)15-16-11(2)14(10-17)19-15/h5-8,17H,3-4,9-10H2,1-2H3.
What are the key properties of [2-(4-butoxyphenyl)-4-methyl-1,3-oxazol-5-yl]methanol?
[2-(4-butoxyphenyl)-4-methyl-1,3-oxazol-5-yl]methanol has a molecular weight of 261.32 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-butoxyphenyl)-4-methyl-1,3-oxazol-5-yl]methanol is sourced from PubChem (CID 143299914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).